data_30004 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of TAZ2-p53TAD ; _BMRB_accession_number 30004 _BMRB_flat_file_name bmr30004.str _Entry_type original _Submission_date 2016-01-20 _Accession_date 2016-01-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 945 "13C chemical shifts" 509 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30002 'Solution Structure of p53TAD-TAZ1' 30003 'Solution Structure of TAZ2-p53AD2' stop_ _Original_release_date 2016-03-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Recognition of the Disordered p53 Transactivation Domain by the Transcriptional Adapter Zinc Finger Domains of CREB-Binding Protein ; _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krois A. S. . 2 Ferreon J. C. . 3 Martinez-Yamout M. A. . 4 Dyson H. J. . 5 Wright P. E. . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CREB-binding protein,Cellular tumor antigen p53 (E.C.2.3.1.48)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity ZN, 1' $entity_ZN 'entity ZN, 2' $entity_ZN 'entity ZN, 3' $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CREB-binding protein,Cellular tumor antigen p53 fusion protein' _Molecular_mass 17711.236 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; SPQESRRLSIQRCIQSLVHA CQCRNANCSLPSCQKMKRVV QHTKGCKRKTNGGCPVCKQL IALCCYHAKHCQENKCPVPF CLNIKHKLRQQQGSGSGSEE PQSDPSVEPPLSQETFSDLW KLLPENNVLSPLPSQAMDDL MLSPDDIEQWFTEDPGPD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1764 SER 2 1765 PRO 3 1766 GLN 4 1767 GLU 5 1768 SER 6 1769 ARG 7 1770 ARG 8 1771 LEU 9 1772 SER 10 1773 ILE 11 1774 GLN 12 1775 ARG 13 1776 CYS 14 1777 ILE 15 1778 GLN 16 1779 SER 17 1780 LEU 18 1781 VAL 19 1782 HIS 20 1783 ALA 21 1784 CYS 22 1785 GLN 23 1786 CYS 24 1787 ARG 25 1788 ASN 26 1789 ALA 27 1790 ASN 28 1791 CYS 29 1792 SER 30 1793 LEU 31 1794 PRO 32 1795 SER 33 1796 CYS 34 1797 GLN 35 1798 LYS 36 1799 MET 37 1800 LYS 38 1801 ARG 39 1802 VAL 40 1803 VAL 41 1804 GLN 42 1805 HIS 43 1806 THR 44 1807 LYS 45 1808 GLY 46 1809 CYS 47 1810 LYS 48 1811 ARG 49 1812 LYS 50 1813 THR 51 1814 ASN 52 1815 GLY 53 1816 GLY 54 1817 CYS 55 1818 PRO 56 1819 VAL 57 1820 CYS 58 1821 LYS 59 1822 GLN 60 1823 LEU 61 1824 ILE 62 1825 ALA 63 1826 LEU 64 1827 CYS 65 1828 CYS 66 1829 TYR 67 1830 HIS 68 1831 ALA 69 1832 LYS 70 1833 HIS 71 1834 CYS 72 1835 GLN 73 1836 GLU 74 1837 ASN 75 1838 LYS 76 1839 CYS 77 1840 PRO 78 1841 VAL 79 1842 PRO 80 1843 PHE 81 1844 CYS 82 1845 LEU 83 1846 ASN 84 1847 ILE 85 1848 LYS 86 1849 HIS 87 1850 LYS 88 1851 LEU 89 1852 ARG 90 1853 GLN 91 1854 GLN 92 1855 GLN 93 2001 GLY 94 2002 SER 95 2003 GLY 96 2004 SER 97 2005 GLY 98 2006 SER 99 3002 GLU 100 3003 GLU 101 3004 PRO 102 3005 GLN 103 3006 SER 104 3007 ASP 105 3008 PRO 106 3009 SER 107 3010 VAL 108 3011 GLU 109 3012 PRO 110 3013 PRO 111 3014 LEU 112 3015 SER 113 3016 GLN 114 3017 GLU 115 3018 THR 116 3019 PHE 117 3020 SER 118 3021 ASP 119 3022 LEU 120 3023 TRP 121 3024 LYS 122 3025 LEU 123 3026 LEU 124 3027 PRO 125 3028 GLU 126 3029 ASN 127 3030 ASN 128 3031 VAL 129 3032 LEU 130 3033 SER 131 3034 PRO 132 3035 LEU 133 3036 PRO 134 3037 SER 135 3038 GLN 136 3039 ALA 137 3040 MET 138 3041 ASP 139 3042 ASP 140 3043 LEU 141 3044 MET 142 3045 LEU 143 3046 SER 144 3047 PRO 145 3048 ASP 146 3049 ASP 147 3050 ILE 148 3051 GLU 149 3052 GLN 150 3053 TRP 151 3054 PHE 152 3055 THR 153 3056 GLU 154 3057 ASP 155 3058 PRO 156 3059 GLY 157 3060 PRO 158 3061 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Crebbp, Cbp' $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'TP53, P53' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3) [DNAY]' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.75 mM [U-13C; U-15N] TAZ2-p53TAD, 20 mM TRIS, 50 mM sodium chloride, 1 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % [U-2H] DTT 1 mM 'natural abundance' $entity_1 1.75 mM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.75 mM [U-13C; U-15N] TAZ2-p53TAD, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 1 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 1 mM [U-2H] $entity_1 1.75 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C] TAZ2, 1 mM p53(13-37, 1 mM p53(38-61), 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 20 mM [U-2H] TRIS, 99% D2O, 1% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM [U-13C] TRIS 20 mM [U-2H] $entity_1 1 mM 'natural abundance' $entity_1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 1 mM TAZ2, 1 mM [U-13C] p53(13-37), 1 mM [U-13C] p53(38-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM 'natural abundance' TRIS 20 mM [U-2H] $entity_1 1 mM [U-13C] $entity_1 1 mM [U-13C] 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '1 mM TAZ2, 1 mM [U-15N] p53(13-61), 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % [U-2H] DTT 2 mM 'natural abundance' $entity_1 1 mM 'natural abundance' TRIS 20 mM 'natural abundance' $entity_1 1 mM [U-15N] 'sodium chloride' 50 mM 'natural abundance' H2O 90 % [U-2H] stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-15N] TAZ2, 1 mM p53(13-61), 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % [U-2H] DTT 2 mM 'natural abundance' $entity_1 1 mM [U-15N] TRIS 20 mM 'natural abundance' $entity_1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % [U-2H] stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details '1 mM TAZ2, 1 mM [U-13C] p53(13-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM 'natural abundance' TRIS 20 mM [U-2H] $entity_1 1 mM [U-13C] 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C] TAZ2, 1 mM p53(13-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 99 % [U-2H] DTT 2 mM [U-2H] $entity_1 1 mM [U-13C] TRIS 20 mM [U-2H] $entity_1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 1 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version 12 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_7 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_8 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_6 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.4 . pD pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'External DSS reference' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCACB' '3D 1H-15N TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_7 $sample_8 $sample_6 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1764 1 SER CA C 56.849 . 1 2 1764 1 SER CB C 63.173 . 1 3 1764 1 SER HA H 4.889 . 1 4 1764 1 SER HB2 H 4.04 . 2 5 1764 1 SER HB3 H 4.336 . 2 6 1765 2 PRO CA C 65.282 . 1 7 1765 2 PRO CB C 32.0195 . 1 8 1765 2 PRO CD C 50.7585 . 1 9 1765 2 PRO CG C 28.0375 . 1 10 1765 2 PRO HA H 4.413 . 1 11 1765 2 PRO HB2 H 1.961 . 2 12 1765 2 PRO HB3 H 2.437 . 2 13 1765 2 PRO HD2 H 3.949 . 2 14 1765 2 PRO HD3 H 3.977 . 2 15 1765 2 PRO HG2 H 2.096 . 2 16 1765 2 PRO HG3 H 2.217 . 2 17 1766 3 GLN CA C 59.191 . 1 18 1766 3 GLN CB C 28.2725 . 1 19 1766 3 GLN CG C 34.3625 . 1 20 1766 3 GLN H H 8.438 . 1 21 1766 3 GLN HA H 4.106 . 1 22 1766 3 GLN HB2 H 2.057 . 2 23 1766 3 GLN HB3 H 2.127 . 2 24 1766 3 GLN HE21 H 6.887 . 2 25 1766 3 GLN HE22 H 7.544 . 2 26 1766 3 GLN HG2 H 2.458 . 2 27 1766 3 GLN HG3 H 2.517 . 2 28 1766 3 GLN N N 117.53 . 1 29 1766 3 GLN NE2 N 112.206 . 1 30 1767 4 GLU CA C 58.723 . 1 31 1767 4 GLU CB C 29.9115 . 1 32 1767 4 GLU CG C 36.4705 . 1 33 1767 4 GLU H H 7.886 . 1 34 1767 4 GLU HA H 4.156 . 1 35 1767 4 GLU HB2 H 2.086 . 2 36 1767 4 GLU HB3 H 2.179 . 2 37 1767 4 GLU HG2 H 2.347 . 1 38 1767 4 GLU HG3 H 2.347 . 1 39 1767 4 GLU N N 121.824 . 1 40 1768 5 SER CA C 61.534 . 1 41 1768 5 SER CB C 62.705 . 1 42 1768 5 SER H H 8.372 . 1 43 1768 5 SER HA H 4.236 . 1 44 1768 5 SER HB2 H 3.952 . 1 45 1768 5 SER HB3 H 3.952 . 1 46 1768 5 SER N N 115.469 . 1 47 1769 6 ARG CA C 58.723 . 1 48 1769 6 ARG CD C 43.2635 . 1 49 1769 6 ARG CG C 28.0375 . 1 50 1769 6 ARG H H 8.087 . 1 51 1769 6 ARG HA H 4.161 . 1 52 1769 6 ARG HB2 H 1.95 . 1 53 1769 6 ARG HB3 H 1.95 . 1 54 1769 6 ARG HD2 H 3.243 . 1 55 1769 6 ARG HD3 H 3.243 . 1 56 1769 6 ARG HG2 H 1.582 . 2 57 1769 6 ARG HG3 H 1.804 . 2 58 1769 6 ARG N N 122.511 . 1 59 1770 7 ARG CA C 59.894 . 1 60 1770 7 ARG CB C 30.1455 . 1 61 1770 7 ARG CD C 43.2635 . 1 62 1770 7 ARG CG C 27.8035 . 1 63 1770 7 ARG H H 7.882 . 1 64 1770 7 ARG HA H 3.937 . 1 65 1770 7 ARG HB2 H 1.972 . 1 66 1770 7 ARG HB3 H 1.972 . 1 67 1770 7 ARG HD2 H 3.253 . 1 68 1770 7 ARG HD3 H 3.253 . 1 69 1770 7 ARG HG2 H 1.608 . 2 70 1770 7 ARG HG3 H 1.814 . 2 71 1770 7 ARG N N 119.591 . 1 72 1771 8 LEU CA C 57.786 . 1 73 1771 8 LEU CB C 41.6235 . 1 74 1771 8 LEU CD1 C 23.587 . 2 75 1771 8 LEU CD2 C 24.9925 . 2 76 1771 8 LEU CG C 27.3355 . 1 77 1771 8 LEU H H 8.083 . 1 78 1771 8 LEU HA H 4.16 . 1 79 1771 8 LEU HB2 H 1.66 . 2 80 1771 8 LEU HB3 H 1.857 . 2 81 1771 8 LEU HD1 H 0.905 . 2 82 1771 8 LEU HD2 H 0.958 . 2 83 1771 8 LEU HG H 1.755 . 1 84 1771 8 LEU N N 119.935 . 1 85 1772 9 SER CA C 62.002 . 1 86 1772 9 SER CB C 62.939 . 1 87 1772 9 SER H H 8.093 . 1 88 1772 9 SER HA H 4.216 . 1 89 1772 9 SER HB2 H 3.916 . 2 90 1772 9 SER HB3 H 4.053 . 2 91 1772 9 SER N N 116.671 . 1 92 1773 10 ILE CA C 65.984 . 1 93 1773 10 ILE CB C 37.8755 . 1 94 1773 10 ILE CD1 C 13.749 . 1 95 1773 10 ILE CG1 C 29.6775 . 1 96 1773 10 ILE CG2 C 17.497 . 1 97 1773 10 ILE H H 8.203 . 1 98 1773 10 ILE HA H 3.506 . 1 99 1773 10 ILE HB H 1.85 . 1 100 1773 10 ILE HD1 H 0.485 . 1 101 1773 10 ILE HG12 H 0.731 . 9 102 1773 10 ILE HG13 H 1.664 . 9 103 1773 10 ILE HG2 H 0.708 . 1 104 1773 10 ILE N N 123.198 . 1 105 1774 11 GLN CA C 59.191 . 1 106 1774 11 GLN CB C 28.2725 . 1 107 1774 11 GLN CG C 33.8935 . 1 108 1774 11 GLN H H 8.087 . 1 109 1774 11 GLN HA H 4.119 . 1 110 1774 11 GLN HB2 H 2.254 . 2 111 1774 11 GLN HB3 H 2.314 . 2 112 1774 11 GLN HE21 H 6.829 . 2 113 1774 11 GLN HE22 H 7.45 . 2 114 1774 11 GLN HG2 H 2.494 . 2 115 1774 11 GLN HG3 H 2.582 . 2 116 1774 11 GLN N N 119.248 . 1 117 1774 11 GLN NE2 N 111.175 . 1 118 1775 12 ARG CA C 59.191 . 1 119 1775 12 ARG CB C 29.9115 . 1 120 1775 12 ARG CD C 43.2635 . 1 121 1775 12 ARG CG C 27.8035 . 1 122 1775 12 ARG H H 8.326 . 1 123 1775 12 ARG HA H 4.116 . 1 124 1775 12 ARG HB2 H 1.947 . 1 125 1775 12 ARG HB3 H 1.947 . 1 126 1775 12 ARG HD2 H 3.214 . 1 127 1775 12 ARG HD3 H 3.214 . 1 128 1775 12 ARG HG2 H 1.692 . 1 129 1775 12 ARG HG3 H 1.692 . 1 130 1775 12 ARG N N 119.763 . 1 131 1776 13 CYS CA C 63.408 . 1 132 1776 13 CYS CB C 26.8665 . 1 133 1776 13 CYS H H 8.027 . 1 134 1776 13 CYS HA H 4.194 . 1 135 1776 13 CYS HB2 H 2.887 . 2 136 1776 13 CYS HB3 H 3.172 . 2 137 1776 13 CYS N N 120.965 . 1 138 1777 14 ILE CA C 64.579 . 1 139 1777 14 ILE CB C 36.9385 . 1 140 1777 14 ILE CD1 C 13.046 . 1 141 1777 14 ILE CG1 C 29.2085 . 1 142 1777 14 ILE CG2 C 18.434 . 1 143 1777 14 ILE H H 8.49 . 1 144 1777 14 ILE HA H 3.719 . 1 145 1777 14 ILE HB H 2.25 . 1 146 1777 14 ILE HD1 H 1.016 . 1 147 1777 14 ILE HG12 H 1.337 . 9 148 1777 14 ILE HG13 H 1.906 . 9 149 1777 14 ILE HG2 H 0.926 . 1 150 1777 14 ILE N N 120.451 . 1 151 1778 15 GLN CA C 59.191 . 1 152 1778 15 GLN CB C 27.8035 . 1 153 1778 15 GLN CG C 34.1275 . 1 154 1778 15 GLN H H 8.369 . 1 155 1778 15 GLN HA H 4.051 . 1 156 1778 15 GLN HB2 H 2.196 . 2 157 1778 15 GLN HB3 H 2.309 . 2 158 1778 15 GLN HE21 H 6.822 . 2 159 1778 15 GLN HE22 H 7.455 . 2 160 1778 15 GLN HG2 H 2.505 . 2 161 1778 15 GLN HG3 H 2.602 . 2 162 1778 15 GLN N N 118.904 . 1 163 1778 15 GLN NE2 N 111.347 . 1 164 1779 16 SER CA C 62.002 . 1 165 1779 16 SER CB C 62.705 . 1 166 1779 16 SER H H 8.09 . 1 167 1779 16 SER HA H 4.395 . 1 168 1779 16 SER HB2 H 3.891 . 2 169 1779 16 SER HB3 H 4.147 . 2 170 1779 16 SER N N 116.671 . 1 171 1780 17 LEU CA C 58.489 . 1 172 1780 17 LEU CB C 41.8575 . 1 173 1780 17 LEU CD1 C 23.118 . 2 174 1780 17 LEU CD2 C 26.8665 . 2 175 1780 17 LEU CG C 27.3355 . 1 176 1780 17 LEU H H 8.198 . 1 177 1780 17 LEU HA H 4.073 . 1 178 1780 17 LEU HB2 H 1.582 . 2 179 1780 17 LEU HB3 H 2.323 . 2 180 1780 17 LEU HD1 H 0.789 . 2 181 1780 17 LEU HD2 H 0.835 . 2 182 1780 17 LEU HG H 1.429 . 1 183 1780 17 LEU N N 125.603 . 1 184 1781 18 VAL CA C 67.39 . 1 185 1781 18 VAL CB C 31.7855 . 1 186 1781 18 VAL CG1 C 21.244 . 2 187 1781 18 VAL CG2 C 24.29 . 2 188 1781 18 VAL H H 8.443 . 1 189 1781 18 VAL HA H 3.341 . 1 190 1781 18 VAL HB H 2.155 . 1 191 1781 18 VAL HG1 H 0.882 . 2 192 1781 18 VAL HG2 H 0.982 . 2 193 1781 18 VAL N N 119.591 . 1 194 1782 19 HIS CA C 60.128 . 1 195 1782 19 HIS CB C 27.5695 . 1 196 1782 19 HIS CD2 C 129.229 . 1 197 1782 19 HIS CE1 C 139.305 . 1 198 1782 19 HIS H H 8.011 . 1 199 1782 19 HIS HA H 4.172 . 1 200 1782 19 HIS HB2 H 3.271 . 2 201 1782 19 HIS HB3 H 3.348 . 2 202 1782 19 HIS HD2 H 7.304 . . 203 1782 19 HIS HE1 H 7.949 . 1 204 1782 19 HIS N N 116.328 . 1 205 1783 20 ALA CA C 55.209 . 1 206 1783 20 ALA CB C 20.073 . 1 207 1783 20 ALA H H 8.532 . 1 208 1783 20 ALA HA H 4.275 . 1 209 1783 20 ALA HB H 1.661 . 1 210 1783 20 ALA N N 121.309 . 1 211 1784 21 CYS CA C 62.939 . 1 212 1784 21 CYS CB C 27.3355 . 1 213 1784 21 CYS H H 7.85 . 1 214 1784 21 CYS HA H 4.209 . 1 215 1784 21 CYS HB2 H 2.802 . 2 216 1784 21 CYS HB3 H 3.035 . 2 217 1784 21 CYS N N 112.378 . 1 218 1785 22 GLN CA C 55.209 . 1 219 1785 22 GLN CB C 30.3805 . 1 220 1785 22 GLN CG C 33.6595 . 1 221 1785 22 GLN H H 7.281 . 1 222 1785 22 GLN HA H 4.449 . 1 223 1785 22 GLN HB2 H 2.052 . 1 224 1785 22 GLN HB3 H 2.052 . 1 225 1785 22 GLN HE21 H 6.84 . 2 226 1785 22 GLN HE22 H 7.324 . 2 227 1785 22 GLN HG2 H 2.259 . 2 228 1785 22 GLN HG3 H 2.507 . 2 229 1785 22 GLN N N 115.813 . 1 230 1785 22 GLN NE2 N 111.862 . 1 231 1786 23 CYS CA C 60.831 . 1 232 1786 23 CYS CB C 29.2085 . 1 233 1786 23 CYS H H 7.303 . 1 234 1786 23 CYS HA H 3.915 . 1 235 1786 23 CYS HB2 H 2.035 . 2 236 1786 23 CYS HB3 H 2.538 . 2 237 1786 23 CYS N N 124.057 . 1 238 1787 24 ARG CA C 54.5065 . 1 239 1787 24 ARG CB C 29.9115 . 1 240 1787 24 ARG CD C 43.0285 . 1 241 1787 24 ARG CG C 26.8665 . 1 242 1787 24 ARG H H 8.836 . 1 243 1787 24 ARG HA H 4.606 . 1 244 1787 24 ARG HB2 H 1.618 . 2 245 1787 24 ARG HB3 H 2.144 . 2 246 1787 24 ARG HD2 H 3.164 . 1 247 1787 24 ARG HD3 H 3.164 . 1 248 1787 24 ARG HG2 H 1.575 . 2 249 1787 24 ARG HG3 H 1.655 . 2 250 1787 24 ARG N N 129.725 . 1 251 1788 25 ASN CA C 51.9295 . 1 252 1788 25 ASN CB C 39.0465 . 1 253 1788 25 ASN H H 7.832 . 1 254 1788 25 ASN HA H 4.838 . 1 255 1788 25 ASN HB2 H 2.842 . 2 256 1788 25 ASN HB3 H 2.991 . 2 257 1788 25 ASN HD21 H 6.991 . 2 258 1788 25 ASN HD22 H 7.792 . 2 259 1788 25 ASN N N 120.45 . 1 260 1788 25 ASN ND2 N 111.519 . 1 261 1789 26 ALA CA C 55.1725 . 1 262 1789 26 ALA CB C 18.434 . 1 263 1789 26 ALA H H 9.086 . 1 264 1789 26 ALA HA H 4.098 . 1 265 1789 26 ALA HB H 1.432 . 1 266 1789 26 ALA N N 130.411 . 1 267 1790 27 ASN CA C 51.9295 . 1 268 1790 27 ASN CB C 38.8125 . 1 269 1790 27 ASN H H 8.018 . 1 270 1790 27 ASN HA H 4.838 . 1 271 1790 27 ASN HB2 H 2.61 . 2 272 1790 27 ASN HB3 H 2.953 . 2 273 1790 27 ASN HD21 H 6.859 . 2 274 1790 27 ASN HD22 H 7.588 . 2 275 1790 27 ASN N N 113.923 . 1 276 1790 27 ASN ND2 N 113.236 . 1 277 1791 28 CYS CA C 61.534 . 1 278 1791 28 CYS CB C 29.9115 . 1 279 1791 28 CYS H H 7.156 . 1 280 1791 28 CYS HA H 4.038 . 1 281 1791 28 CYS HB2 H 3.004 . 1 282 1791 28 CYS HB3 H 3.004 . 1 283 1791 28 CYS N N 123.198 . 1 284 1792 29 SER CA C 57.786 . 1 285 1792 29 SER CB C 64.11 . 1 286 1792 29 SER H H 8.744 . 1 287 1792 29 SER HA H 4.605 . 1 288 1792 29 SER HB2 H 3.859 . 2 289 1792 29 SER HB3 H 4.118 . 2 290 1792 29 SER N N 124.4 . 1 291 1793 30 LEU CA C 54.2725 . 1 292 1793 30 LEU CB C 41.1545 . 1 293 1793 30 LEU CD1 C 24.473 . 2 294 1793 30 LEU CD2 C 23.118 . 2 295 1793 30 LEU CG C 27.3355 . 1 296 1793 30 LEU H H 8.449 . 1 297 1793 30 LEU HA H 4.502 . 1 298 1793 30 LEU HB2 H 1.406 . 2 299 1793 30 LEU HB3 H 1.623 . 2 300 1793 30 LEU HD1 H 0.58 . 2 301 1793 30 LEU HD2 H 0.622 . 2 302 1793 30 LEU HG H 1.623 . 1 303 1793 30 LEU N N 128.522 . 1 304 1794 31 PRO CA C 65.282 . 1 305 1794 31 PRO CB C 32.0195 . 1 306 1794 31 PRO CD C 51.2265 . 1 307 1794 31 PRO CG C 27.8035 . 1 308 1794 31 PRO HA H 4.329 . 1 309 1794 31 PRO HB2 H 1.977 . 2 310 1794 31 PRO HB3 H 2.401 . 2 311 1794 31 PRO HD2 H 3.777 . 2 312 1794 31 PRO HD3 H 4.224 . 2 313 1794 31 PRO HG2 H 2.079 . 2 314 1794 31 PRO HG3 H 2.188 . 2 315 1795 32 SER CA C 60.597 . 1 316 1795 32 SER CB C 62.705 . 1 317 1795 32 SER H H 8.353 . 1 318 1795 32 SER HA H 4.23 . 1 319 1795 32 SER HB2 H 4.056 . 1 320 1795 32 SER HB3 H 4.056 . 1 321 1795 32 SER N N 111.862 . 1 322 1796 33 CYS CA C 63.876 . 1 323 1796 33 CYS CB C 29.6775 . 1 324 1796 33 CYS H H 7.434 . 1 325 1796 33 CYS HA H 4.161 . 1 326 1796 33 CYS HB2 H 2.724 . 2 327 1796 33 CYS HB3 H 3.279 . 2 328 1796 33 CYS N N 125.774 . 1 329 1797 34 GLN CA C 59.66 . 1 330 1797 34 GLN CB C 28.0375 . 1 331 1797 34 GLN CG C 34.1275 . 1 332 1797 34 GLN H H 8.027 . 1 333 1797 34 GLN HA H 3.963 . 1 334 1797 34 GLN HB2 H 2.131 . 2 335 1797 34 GLN HB3 H 2.196 . 2 336 1797 34 GLN HE21 H 6.838 . 2 337 1797 34 GLN HE22 H 7.501 . 2 338 1797 34 GLN HG2 H 2.487 . 2 339 1797 34 GLN HG3 H 2.543 . 2 340 1797 34 GLN N N 115.813 . 1 341 1797 34 GLN NE2 N 111.691 . 1 342 1798 35 LYS CA C 59.426 . 1 343 1798 35 LYS CB C 32.7225 . 1 344 1798 35 LYS CD C 29.4435 . 1 345 1798 35 LYS CE C 41.8575 . 1 346 1798 35 LYS CG C 24.9925 . 1 347 1798 35 LYS H H 7.91 . 1 348 1798 35 LYS HA H 4.035 . 1 349 1798 35 LYS HB2 H 1.763 . 2 350 1798 35 LYS HB3 H 1.92 . 2 351 1798 35 LYS HD2 H 1.723 . 1 352 1798 35 LYS HD3 H 1.723 . 1 353 1798 35 LYS HE2 H 2.983 . 1 354 1798 35 LYS HE3 H 2.983 . 1 355 1798 35 LYS HG2 H 1.383 . 2 356 1798 35 LYS HG3 H 1.553 . 2 357 1798 35 LYS N N 117.53 . 1 358 1799 36 MET CA C 56.615 . 1 359 1799 36 MET CB C 31.0825 . 1 360 1799 36 MET CE C 17.263 . 1 361 1799 36 MET CG C 33.4255 . 1 362 1799 36 MET H H 8.106 . 1 363 1799 36 MET HA H 4.505 . 1 364 1799 36 MET HB2 H 1.792 . 2 365 1799 36 MET HB3 H 2.307 . 2 366 1799 36 MET HE H 1.809 . 1 367 1799 36 MET HG2 H 2.503 . 2 368 1799 36 MET HG3 H 2.792 . 2 369 1799 36 MET N N 117.187 . 1 370 1800 37 LYS CA C 61.3 . 1 371 1800 37 LYS CB C 33.1905 . 1 372 1800 37 LYS CD C 30.3805 . 1 373 1800 37 LYS CE C 43.0285 . 1 374 1800 37 LYS CG C 27.8035 . 1 375 1800 37 LYS H H 9.157 . 1 376 1800 37 LYS HA H 3.873 . 1 377 1800 37 LYS HB2 H 1.835 . 2 378 1800 37 LYS HB3 H 2.082 . 2 379 1800 37 LYS HD2 H 1.67 . 1 380 1800 37 LYS HD3 H 1.67 . 1 381 1800 37 LYS HE2 H 3.175 . 2 382 1800 37 LYS HE3 H 3.303 . 2 383 1800 37 LYS HG2 H 1.336 . 2 384 1800 37 LYS HG3 H 2.039 . 2 385 1800 37 LYS N N 121.309 . 1 386 1801 38 ARG CA C 59.66 . 1 387 1801 38 ARG CB C 30.1455 . 1 388 1801 38 ARG CD C 43.7315 . 1 389 1801 38 ARG CG C 28.0375 . 1 390 1801 38 ARG H H 7.704 . 1 391 1801 38 ARG HA H 4.15 . 1 392 1801 38 ARG HB2 H 1.987 . 1 393 1801 38 ARG HB3 H 1.987 . 1 394 1801 38 ARG HD2 H 3.246 . 1 395 1801 38 ARG HD3 H 3.246 . 1 396 1801 38 ARG HG2 H 1.678 . 1 397 1801 38 ARG HG3 H 1.678 . 1 398 1801 38 ARG N N 118.561 . 1 399 1802 39 VAL CA C 67.155 . 1 400 1802 39 VAL CB C 31.5515 . 1 401 1802 39 VAL CG1 C 21.713 . 2 402 1802 39 VAL CG2 C 23.353 . 2 403 1802 39 VAL H H 7.786 . 1 404 1802 39 VAL HA H 3.601 . 1 405 1802 39 VAL HB H 2.313 . 1 406 1802 39 VAL HG1 H 0.792 . 2 407 1802 39 VAL HG2 H 0.959 . 2 408 1802 39 VAL N N 122.339 . 1 409 1803 40 VAL CA C 67.624 . 1 410 1803 40 VAL CB C 31.7855 . 1 411 1803 40 VAL CG1 C 21.479 . 2 412 1803 40 VAL CG2 C 23.353 . 2 413 1803 40 VAL H H 8.138 . 1 414 1803 40 VAL HA H 3.492 . 1 415 1803 40 VAL HB H 2.168 . 1 416 1803 40 VAL HG1 H 0.936 . 2 417 1803 40 VAL HG2 H 0.964 . 2 418 1803 40 VAL N N 120.45 . 1 419 1804 41 GLN CA C 58.723 . 1 420 1804 41 GLN CB C 28.5065 . 1 421 1804 41 GLN CG C 33.6595 . 1 422 1804 41 GLN H H 8.179 . 1 423 1804 41 GLN HA H 3.978 . 1 424 1804 41 GLN HB2 H 2.16 . 2 425 1804 41 GLN HB3 H 2.204 . 2 426 1804 41 GLN HE21 H 7.105 . 2 427 1804 41 GLN HE22 H 7.609 . 2 428 1804 41 GLN HG2 H 2.494 . 1 429 1804 41 GLN HG3 H 2.494 . 1 430 1804 41 GLN N N 118.217 . 1 431 1804 41 GLN NE2 N 111.519 . 1 432 1805 42 HIS CA C 59.66 . 1 433 1805 42 HIS CB C 27.3355 . 1 434 1805 42 HIS CD2 C 129.463 . 1 435 1805 42 HIS CE1 C 140.235 . 1 436 1805 42 HIS H H 8.368 . 1 437 1805 42 HIS HA H 4.249 . 1 438 1805 42 HIS HB2 H 3.356 . 2 439 1805 42 HIS HB3 H 3.86 . 2 440 1805 42 HIS HD2 H 7.061 . . 441 1805 42 HIS HE1 H 8.114 . 1 442 1805 42 HIS N N 119.248 . 1 443 1806 43 THR CA C 66.687 . 1 444 1806 43 THR CB C 69.264 . 1 445 1806 43 THR CG2 C 22.65 . 1 446 1806 43 THR H H 8.314 . 1 447 1806 43 THR HA H 3.85 . 1 448 1806 43 THR HB H 4.172 . 1 449 1806 43 THR HG2 H 1.608 . 1 450 1806 43 THR N N 113.58 . 1 451 1807 44 LYS CA C 57.318 . 1 452 1807 44 LYS CB C 32.4885 . 1 453 1807 44 LYS CD C 29.6775 . 1 454 1807 44 LYS CE C 42.0915 . 1 455 1807 44 LYS CG C 25.4615 . 1 456 1807 44 LYS H H 7.351 . 1 457 1807 44 LYS HA H 3.951 . 1 458 1807 44 LYS HB2 H 1.769 . 2 459 1807 44 LYS HB3 H 1.918 . 2 460 1807 44 LYS HD2 H 1.732 . 1 461 1807 44 LYS HD3 H 1.732 . 1 462 1807 44 LYS HE2 H 3.022 . 1 463 1807 44 LYS HE3 H 3.022 . 1 464 1807 44 LYS HG2 H 1.525 . 2 465 1807 44 LYS HG3 H 1.704 . 2 466 1807 44 LYS N N 120.45 . 1 467 1808 45 GLY CA C 44.6685 . 1 468 1808 45 GLY H H 7.076 . 1 469 1808 45 GLY HA2 H 3.653 . 2 470 1808 45 GLY HA3 H 4.366 . 2 471 1808 45 GLY N N 103.275 . 1 472 1809 46 CYS CA C 60.831 . 1 473 1809 46 CYS CB C 30.3805 . 1 474 1809 46 CYS H H 6.998 . 1 475 1809 46 CYS HA H 3.914 . 1 476 1809 46 CYS HB2 H 2.035 . 2 477 1809 46 CYS HB3 H 2.528 . 2 478 1809 46 CYS N N 122.683 . 1 479 1810 47 LYS CA C 56.381 . 1 480 1810 47 LYS CB C 32.9565 . 1 481 1810 47 LYS CD C 28.5065 . 1 482 1810 47 LYS CE C 42.0915 . 1 483 1810 47 LYS CG C 24.9925 . 1 484 1810 47 LYS H H 9.041 . 1 485 1810 47 LYS HA H 4.53 . 1 486 1810 47 LYS HB2 H 1.837 . 2 487 1810 47 LYS HB3 H 2.028 . 2 488 1810 47 LYS HD2 H 1.713 . 1 489 1810 47 LYS HD3 H 1.713 . 1 490 1810 47 LYS HE2 H 3.043 . 1 491 1810 47 LYS HE3 H 3.043 . 1 492 1810 47 LYS HG2 H 1.53 . 2 493 1810 47 LYS HG3 H 1.627 . 2 494 1810 47 LYS N N 128.179 . 1 495 1811 48 ARG CA C 58.489 . 1 496 1811 48 ARG CB C 30.3805 . 1 497 1811 48 ARG CD C 43.7315 . 1 498 1811 48 ARG CG C 28.2725 . 1 499 1811 48 ARG H H 8.432 . 1 500 1811 48 ARG HA H 4.271 . 1 501 1811 48 ARG HB2 H 1.858 . 2 502 1811 48 ARG HB3 H 2.067 . 2 503 1811 48 ARG HD2 H 3.368 . 1 504 1811 48 ARG HD3 H 3.368 . 1 505 1811 48 ARG HG2 H 1.771 . 2 506 1811 48 ARG HG3 H 1.947 . 2 507 1811 48 ARG N N 122.683 . 1 508 1812 49 LYS CA C 56.381 . 1 509 1812 49 LYS CB C 32.0195 . 1 510 1812 49 LYS CE C 42.7885 . 1 511 1812 49 LYS CG C 24.758 . 1 512 1812 49 LYS H H 8.338 . 1 513 1812 49 LYS HA H 4.535 . 1 514 1812 49 LYS HB2 H 1.812 . 2 515 1812 49 LYS HB3 H 2.396 . 2 516 1812 49 LYS HD2 H 2.05 . 1 517 1812 49 LYS HD3 H 2.05 . 1 518 1812 49 LYS HE2 H 3.16 . 1 519 1812 49 LYS HE3 H 3.16 . 1 520 1812 49 LYS HG2 H 1.276 . 2 521 1812 49 LYS HG3 H 1.736 . 2 522 1812 49 LYS N N 117.874 . 1 523 1813 50 THR CA C 62.705 . 1 524 1813 50 THR CB C 69.029 . 1 525 1813 50 THR CG2 C 22.416 . 1 526 1813 50 THR HA H 4.265 . 1 527 1813 50 THR HB H 4.287 . 1 528 1813 50 THR HG2 H 1.216 . 1 529 1814 51 ASN CA C 53.3355 . 1 530 1814 51 ASN CB C 38.8125 . 1 531 1814 51 ASN HA H 4.854 . 1 532 1814 51 ASN HB2 H 2.765 . 2 533 1814 51 ASN HB3 H 2.881 . 2 534 1814 51 ASN HD21 H 6.791 . 2 535 1814 51 ASN HD22 H 7.572 . 2 536 1814 51 ASN ND2 N 112.721 . 1 537 1815 52 GLY CA C 44.9025 . 1 538 1815 52 GLY HA2 H 3.717 . 2 539 1815 52 GLY HA3 H 4.2 . 2 540 1816 53 GLY CA C 45.6055 . 1 541 1816 53 GLY H H 7.657 . 1 542 1816 53 GLY HA2 H 3.739 . 2 543 1816 53 GLY HA3 H 4.313 . 2 544 1816 53 GLY N N 107.7412 . 1 545 1817 54 CYS CA C 55.678 . 1 546 1817 54 CYS CB C 32.0195 . 1 547 1817 54 CYS H H 8.17 . 1 548 1817 54 CYS HA H 4.786 . 1 549 1817 54 CYS HB2 H 2.7 . 2 550 1817 54 CYS HB3 H 2.75 . 2 551 1818 55 PRO CA C 65.047 . 1 552 1818 55 PRO CB C 32.4885 . 1 553 1818 55 PRO CD C 51.4615 . 1 554 1818 55 PRO CG C 27.3355 . 1 555 1818 55 PRO HA H 4.306 . 1 556 1818 55 PRO HB2 H 1.917 . 2 557 1818 55 PRO HB3 H 2.323 . 2 558 1818 55 PRO HD2 H 3.89 . 2 559 1818 55 PRO HD3 H 4.057 . 2 560 1818 55 PRO HG2 H 2.071 . 1 561 1818 55 PRO HG3 H 2.071 . 1 562 1819 56 VAL CA C 66.453 . 1 563 1819 56 VAL CB C 32.7225 . 1 564 1819 56 VAL CG1 C 22.181 . 2 565 1819 56 VAL CG2 C 22.181 . 2 566 1819 56 VAL H H 7.7 . 1 567 1819 56 VAL HA H 3.701 . 1 568 1819 56 VAL HB H 1.738 . 1 569 1819 56 VAL HG1 H 0.765 . 2 570 1819 56 VAL HG2 H 0.764 . 2 571 1819 56 VAL N N 121.824 . 1 572 1820 57 CYS CA C 66.218 . 1 573 1820 57 CYS CB C 29.6775 . 1 574 1820 57 CYS H H 8.584 . 1 575 1820 57 CYS HA H 3.992 . 1 576 1820 57 CYS HB2 H 2.636 . 2 577 1820 57 CYS HB3 H 2.855 . 2 578 1820 57 CYS N N 123.713 . 1 579 1821 58 LYS CA C 59.894 . 1 580 1821 58 LYS CB C 32.7225 . 1 581 1821 58 LYS CD C 29.9115 . 1 582 1821 58 LYS CE C 41.8575 . 1 583 1821 58 LYS CG C 25.6955 . 1 584 1821 58 LYS H H 7.931 . 1 585 1821 58 LYS HA H 3.799 . 1 586 1821 58 LYS HB2 H 1.746 . 1 587 1821 58 LYS HB3 H 1.746 . 1 588 1821 58 LYS HD2 H 1.613 . 2 589 1821 58 LYS HD3 H 1.677 . 2 590 1821 58 LYS HE2 H 2.896 . 1 591 1821 58 LYS HE3 H 2.896 . 1 592 1821 58 LYS HG2 H 1.324 . 1 593 1821 58 LYS HG3 H 1.324 . 1 594 1821 58 LYS N N 117.015 . 1 595 1822 59 GLN CA C 58.723 . 1 596 1822 59 GLN H H 7.431 . 1 597 1822 59 GLN HA H 3.873 . 1 598 1822 59 GLN HB2 H 1.87 . 2 599 1822 59 GLN HB3 H 2.05 . 2 600 1822 59 GLN N N 117.702 . 1 601 1823 60 LEU CA C 58.723 . 1 602 1823 60 LEU CB C 41.1545 . 1 603 1823 60 LEU CD1 C 23.587 . 2 604 1823 60 LEU CD2 C 26.1635 . 2 605 1823 60 LEU CG C 27.5695 . 1 606 1823 60 LEU H H 8.141 . 1 607 1823 60 LEU HA H 4.362 . 1 608 1823 60 LEU HB2 H 1.681 . 2 609 1823 60 LEU HB3 H 2.231 . 2 610 1823 60 LEU HD1 H 0.969 . 2 611 1823 60 LEU HD2 H 1.073 . 2 612 1823 60 LEU HG H 1.787 . 1 613 1823 60 LEU N N 119.42 . 1 614 1824 61 ILE CB C 39.0465 . 1 615 1824 61 ILE CD1 C 14.217 . 1 616 1824 61 ILE CG1 C 28.7375 . 1 617 1824 61 ILE CG2 C 18.668 . 1 618 1824 61 ILE HA H 3.792 . 1 619 1824 61 ILE HB H 1.823 . 1 620 1824 61 ILE HD1 H 1.104 . 1 621 1824 61 ILE HG12 H 1.581 . 4 622 1824 61 ILE HG13 H 1.581 . 4 623 1824 61 ILE HG2 H 1.233 . 1 624 1825 62 ALA CA C 56.146 . 1 625 1825 62 ALA CB C 18.434 . 1 626 1825 62 ALA H H 7.988 . 1 627 1825 62 ALA HA H 4.086 . 1 628 1825 62 ALA HB H 1.547 . 1 629 1825 62 ALA N N 124.229 . 1 630 1826 63 LEU CA C 58.723 . 1 631 1826 63 LEU CB C 42.5605 . 1 632 1826 63 LEU CD1 C 26.1635 . 2 633 1826 63 LEU CD2 C 25.2265 . 2 634 1826 63 LEU CG C 26.8665 . 1 635 1826 63 LEU H H 7.865 . 1 636 1826 63 LEU HA H 4.172 . 1 637 1826 63 LEU HB2 H 2.057 . 1 638 1826 63 LEU HB3 H 2.057 . 1 639 1826 63 LEU HD1 H 0.984 . 2 640 1826 63 LEU HD2 H 1.045 . 2 641 1826 63 LEU HG H 1.859 . 1 642 1826 63 LEU N N 119.076 . 1 643 1827 64 CYS CA C 65.282 . 1 644 1827 64 CYS CB C 26.8665 . 1 645 1827 64 CYS H H 8.37 . 1 646 1827 64 CYS HA H 4.134 . 1 647 1827 64 CYS HB2 H 3.133 . 2 648 1827 64 CYS HB3 H 3.275 . 2 649 1827 64 CYS N N 117.015 . 1 650 1828 65 CYS CA C 63.408 . 1 651 1828 65 CYS CB C 26.8665 . 1 652 1828 65 CYS H H 8.416 . 1 653 1828 65 CYS HA H 4.404 . 1 654 1828 65 CYS HB2 H 3.144 . 1 655 1828 65 CYS HB3 H 3.144 . 1 656 1828 65 CYS N N 118.561 . 1 657 1829 66 TYR CA C 62.471 . 1 658 1829 66 TYR CB C 38.3445 . 1 659 1829 66 TYR CD1 C 133.211 . 3 660 1829 66 TYR CE1 C 118.22 . 3 661 1829 66 TYR HA H 4.104 . 1 662 1829 66 TYR HB2 H 3.254 . 2 663 1829 66 TYR HB3 H 3.327 . 2 664 1829 66 TYR HD1 H 7.134 . 3 665 1829 66 TYR HE1 H 6.808 . 3 666 1830 67 HIS CA C 59.66 . 1 667 1830 67 HIS CB C 27.8035 . 1 668 1830 67 HIS CD2 C 130.165 . 1 669 1830 67 HIS CE1 C 139.765 . 1 670 1830 67 HIS H H 8.254 . 1 671 1830 67 HIS HA H 4.25 . 1 672 1830 67 HIS HB2 H 3.281 . 2 673 1830 67 HIS HB3 H 3.61 . 2 674 1830 67 HIS HD2 H 7.225 . . 675 1830 67 HIS HE1 H 8.051 . 1 676 1830 67 HIS N N 115.984 . 1 677 1831 68 ALA CA C 55.209 . 1 678 1831 68 ALA CB C 20.308 . 1 679 1831 68 ALA H H 8.49 . 1 680 1831 68 ALA HA H 4.108 . 1 681 1831 68 ALA HB H 1.727 . 1 682 1831 68 ALA N N 121.996 . 1 683 1832 69 LYS CA C 58.489 . 1 684 1832 69 LYS CB C 32.7225 . 1 685 1832 69 LYS CD C 29.4435 . 1 686 1832 69 LYS CE C 41.8575 . 1 687 1832 69 LYS CG C 25.9295 . 1 688 1832 69 LYS H H 7.705 . 1 689 1832 69 LYS HA H 3.767 . 1 690 1832 69 LYS HB2 H 1.453 . 2 691 1832 69 LYS HB3 H 1.601 . 2 692 1832 69 LYS HD2 H 1.565 . 2 693 1832 69 LYS HD3 H 1.618 . 2 694 1832 69 LYS HE2 H 2.89 . 1 695 1832 69 LYS HE3 H 2.89 . 1 696 1832 69 LYS HG2 H 1.225 . 2 697 1832 69 LYS HG3 H 1.475 . 2 698 1832 69 LYS N N 114.267 . 1 699 1833 70 HIS CA C 55.209 . 1 700 1833 70 HIS CB C 30.3805 . 1 701 1833 70 HIS CD2 C 121.733 . 1 702 1833 70 HIS CE1 C 137.195 . 1 703 1833 70 HIS H H 7.045 . 1 704 1833 70 HIS HA H 4.644 . 1 705 1833 70 HIS HB2 H 2.734 . 2 706 1833 70 HIS HB3 H 3.362 . 2 707 1833 70 HIS HD2 H 6.899 . . 708 1833 70 HIS HE1 H 7.79 . 1 709 1833 70 HIS N N 113.923 . 1 710 1834 71 CYS CA C 60.128 . 1 711 1834 71 CYS CB C 30.3805 . 1 712 1834 71 CYS H H 6.954 . 1 713 1834 71 CYS HA H 4.092 . 1 714 1834 71 CYS HB2 H 1.913 . 2 715 1834 71 CYS HB3 H 2.478 . 2 716 1834 71 CYS N N 123.885 . 1 717 1835 72 GLN CA C 54.5065 . 1 718 1835 72 GLN CB C 29.4435 . 1 719 1835 72 GLN CG C 33.6595 . 1 720 1835 72 GLN H H 9.041 . 1 721 1835 72 GLN HA H 4.657 . 1 722 1835 72 GLN HB2 H 1.833 . 2 723 1835 72 GLN HB3 H 2.427 . 2 724 1835 72 GLN HE21 H 6.719 . 2 725 1835 72 GLN HE22 H 7.308 . 2 726 1835 72 GLN HG2 H 2.302 . 2 727 1835 72 GLN HG3 H 2.346 . 2 728 1835 72 GLN N N 128.179 . 1 729 1835 72 GLN NE2 N 112.378 . 1 730 1836 73 GLU CA C 55.678 . 1 731 1836 73 GLU CB C 30.8485 . 1 732 1836 73 GLU CG C 36.0015 . 1 733 1836 73 GLU H H 8.443 . 1 734 1836 73 GLU HA H 4.379 . 1 735 1836 73 GLU HB2 H 1.904 . 2 736 1836 73 GLU HB3 H 2.04 . 2 737 1836 73 GLU HG2 H 2.325 . 2 738 1836 73 GLU HG3 H 2.382 . 2 739 1836 73 GLU N N 123.713 . 1 740 1837 74 ASN CA C 54.7405 . 1 741 1837 74 ASN CB C 38.8125 . 1 742 1837 74 ASN H H 8.58 . 1 743 1837 74 ASN HA H 4.556 . 1 744 1837 74 ASN HB2 H 2.789 . 1 745 1837 74 ASN HB3 H 2.789 . 1 746 1837 74 ASN HD21 H 6.927 . 2 747 1837 74 ASN HD22 H 7.566 . 2 748 1837 74 ASN N N 122.511 . 1 749 1837 74 ASN ND2 N 112.893 . 1 750 1838 75 LYS CA C 54.975 . 1 751 1838 75 LYS CB C 31.3175 . 1 752 1838 75 LYS CD C 29.2085 . 1 753 1838 75 LYS CE C 41.8575 . 1 754 1838 75 LYS CG C 24.9925 . 1 755 1838 75 LYS H H 8.608 . 1 756 1838 75 LYS HA H 4.369 . 1 757 1838 75 LYS HB2 H 1.668 . 2 758 1838 75 LYS HB3 H 1.844 . 2 759 1838 75 LYS HD2 H 1.665 . 1 760 1838 75 LYS HD3 H 1.665 . 1 761 1838 75 LYS HE2 H 2.968 . 1 762 1838 75 LYS HE3 H 2.968 . 1 763 1838 75 LYS HG2 H 1.295 . 2 764 1838 75 LYS HG3 H 1.361 . 2 765 1838 75 LYS N N 121.652 . 1 766 1839 76 CYS CA C 56.849 . 1 767 1839 76 CYS CB C 31.5515 . 1 768 1839 76 CYS H H 7.55 . 1 769 1839 76 CYS HA H 4.55 . 1 770 1839 76 CYS HB2 H 2.845 . 1 771 1839 76 CYS HB3 H 2.845 . 1 772 1839 76 CYS N N 125.087 . 1 773 1840 77 PRO CA C 63.173 . 1 774 1840 77 PRO CB C 32.4885 . 1 775 1840 77 PRO CD C 51.6955 . 1 776 1840 77 PRO CG C 26.3985 . 1 777 1840 77 PRO HA H 4.656 . 1 778 1840 77 PRO HB2 H 2.085 . 1 779 1840 77 PRO HB3 H 2.085 . 1 780 1840 77 PRO HD2 H 3.808 . 2 781 1840 77 PRO HD3 H 4.29 . 2 782 1840 77 PRO HG2 H 1.753 . 2 783 1840 77 PRO HG3 H 2.09 . 2 784 1841 78 VAL CA C 62.236 . 1 785 1841 78 VAL CB C 31.7855 . 1 786 1841 78 VAL CG1 C 20.308 . 2 787 1841 78 VAL CG2 C 22.884 . 2 788 1841 78 VAL H H 8.853 . 1 789 1841 78 VAL HA H 3.754 . 1 790 1841 78 VAL HB H 1.941 . 1 791 1841 78 VAL HG1 H 0.742 . 2 792 1841 78 VAL HG2 H 0.185 . 2 793 1841 78 VAL N N 127.664 . 1 794 1842 79 PRO CA C 64.345 . 1 795 1842 79 PRO CB C 31.3175 . 1 796 1842 79 PRO CD C 50.7585 . 1 797 1842 79 PRO CG C 28.0375 . 1 798 1842 79 PRO HA H 3.853 . 1 799 1842 79 PRO HB2 H 1.547 . 1 800 1842 79 PRO HB3 H 1.547 . 1 801 1842 79 PRO HD2 H 3.343 . 2 802 1842 79 PRO HD3 H 3.986 . 2 803 1842 79 PRO HG2 H 1.758 . 2 804 1842 79 PRO HG3 H 1.9 . 2 805 1843 80 PHE CA C 57.552 . 1 806 1843 80 PHE CB C 37.6415 . 1 807 1843 80 PHE CD1 C 132.039 . 3 808 1843 80 PHE CE1 C 131.102 . 3 809 1843 80 PHE CZ C 129.697 . 1 810 1843 80 PHE HA H 4.463 . 1 811 1843 80 PHE HB2 H 3.272 . 2 812 1843 80 PHE HB3 H 3.537 . 2 813 1843 80 PHE HD1 H 7.235 . 3 814 1843 80 PHE HD2 H 7.235 . 3 815 1843 80 PHE HE1 H 7.231 . 3 816 1843 80 PHE HE2 H 7.231 . 3 817 1843 80 PHE HZ H 7.157 . 1 818 1844 81 CYS CA C 65.047 . 1 819 1844 81 CYS CB C 29.4435 . 1 820 1844 81 CYS H H 7.71 . 1 821 1844 81 CYS HA H 4.107 . 1 822 1844 81 CYS HB2 H 3.06 . 1 823 1844 81 CYS HB3 H 3.06 . 1 824 1844 81 CYS N N 125.087 . 1 825 1845 82 LEU CA C 58.489 . 1 826 1845 82 LEU CB C 41.3895 . 1 827 1845 82 LEU CD1 C 24.524 . 2 828 1845 82 LEU CD2 C 24.9925 . 2 829 1845 82 LEU CG C 27.3355 . 1 830 1845 82 LEU H H 8.192 . 1 831 1845 82 LEU HA H 3.971 . 1 832 1845 82 LEU HB2 H 1.509 . 2 833 1845 82 LEU HB3 H 1.702 . 2 834 1845 82 LEU HD1 H 0.925 . 2 835 1845 82 LEU HD2 H 0.89 . 2 836 1845 82 LEU HG H 1.543 . 1 837 1845 82 LEU N N 115.469 . 1 838 1846 83 ASN H H 7.946 . 1 839 1846 83 ASN HA H 4.302 . 1 840 1846 83 ASN HB2 H 3.15 . 1 841 1846 83 ASN HB3 H 3.15 . 1 842 1846 83 ASN HD21 H 7.105 . 2 843 1846 83 ASN HD22 H 7.609 . 2 844 1846 83 ASN N N 116.5 . 1 845 1846 83 ASN ND2 N 111.519 . 1 846 1847 84 ILE CA C 65.75 . 1 847 1847 84 ILE CB C 38.1095 . 1 848 1847 84 ILE CD1 C 14.92 . 1 849 1847 84 ILE CG1 C 30.3805 . 1 850 1847 84 ILE CG2 C 19.136 . 1 851 1847 84 ILE H H 8.609 . 1 852 1847 84 ILE HA H 3.345 . 1 853 1847 84 ILE HB H 1.99 . 1 854 1847 84 ILE HD1 H 1.046 . 1 855 1847 84 ILE HG12 H 1.192 . 9 856 1847 84 ILE HG13 H 2.11 . 9 857 1847 84 ILE HG2 H 1.118 . 1 858 1847 84 ILE N N 120.965 . 1 859 1848 85 LYS CA C 61.534 . 1 860 1848 85 LYS CB C 32.4885 . 1 861 1848 85 LYS CD C 30.6145 . 1 862 1848 85 LYS CE C 42.5605 . 1 863 1848 85 LYS CG C 26.8665 . 1 864 1848 85 LYS H H 8.693 . 1 865 1848 85 LYS HA H 3.813 . 1 866 1848 85 LYS HB2 H 1.754 . 2 867 1848 85 LYS HB3 H 1.961 . 2 868 1848 85 LYS HD2 H 1.645 . 2 869 1848 85 LYS HD3 H 1.73 . 2 870 1848 85 LYS HE2 H 3.232 . 2 871 1848 85 LYS HE3 H 3.265 . 2 872 1848 85 LYS HG2 H 1.326 . 2 873 1848 85 LYS HG3 H 1.982 . 2 874 1848 85 LYS N N 120.278 . 1 875 1849 86 HIS CA C 59.426 . 1 876 1849 86 HIS CB C 30.3805 . 1 877 1849 86 HIS CD2 C 118.922 . 1 878 1849 86 HIS CE1 C 138.125 . 1 879 1849 86 HIS H H 7.882 . 1 880 1849 86 HIS HA H 4.335 . 1 881 1849 86 HIS HB2 H 3.172 . 1 882 1849 86 HIS HB3 H 3.172 . 1 883 1849 86 HIS HD2 H 6.991 . . 884 1849 86 HIS HE1 H 7.864 . 1 885 1849 86 HIS N N 116.843 . 1 886 1850 87 LYS CA C 57.552 . 1 887 1850 87 LYS CB C 32.4885 . 1 888 1850 87 LYS CD C 29.6775 . 1 889 1850 87 LYS CE C 42.0915 . 1 890 1850 87 LYS CG C 25.4615 . 1 891 1850 87 LYS H H 7.574 . 1 892 1850 87 LYS HA H 3.973 . 1 893 1850 87 LYS HB2 H 1.808 . 2 894 1850 87 LYS HB3 H 1.914 . 2 895 1850 87 LYS HD2 H 1.742 . 1 896 1850 87 LYS HD3 H 1.742 . 1 897 1850 87 LYS HE2 H 3.022 . 1 898 1850 87 LYS HE3 H 3.022 . 1 899 1850 87 LYS HG2 H 1.512 . 2 900 1850 87 LYS HG3 H 1.685 . 2 901 1850 87 LYS N N 119.591 . 1 902 1851 88 LEU CA C 57.083 . 1 903 1851 88 LEU CB C 41.6235 . 1 904 1851 88 LEU CD1 C 22.65 . 2 905 1851 88 LEU CD2 C 26.1635 . 2 906 1851 88 LEU CG C 26.6325 . 1 907 1851 88 LEU H H 8.416 . 1 908 1851 88 LEU HA H 4.175 . 1 909 1851 88 LEU HB2 H 1.548 . 2 910 1851 88 LEU HB3 H 1.903 . 2 911 1851 88 LEU HD1 H 0.979 . 2 912 1851 88 LEU HD2 H 0.889 . 2 913 1851 88 LEU HG H 1.985 . 1 914 1851 88 LEU N N 118.561 . 1 915 1852 89 ARG CA C 57.786 . 1 916 1852 89 ARG CB C 30.1455 . 1 917 1852 89 ARG CD C 43.7315 . 1 918 1852 89 ARG CG C 27.5695 . 1 919 1852 89 ARG H H 7.777 . 1 920 1852 89 ARG HA H 4.194 . 1 921 1852 89 ARG HB2 H 1.904 . 1 922 1852 89 ARG HB3 H 1.904 . 1 923 1852 89 ARG HD2 H 3.177 . 1 924 1852 89 ARG HD3 H 3.177 . 1 925 1852 89 ARG HG2 H 1.67 . 2 926 1852 89 ARG HG3 H 1.76 . 2 927 1852 89 ARG N N 118.389 . 1 928 1853 90 GLN CA C 56.849 . 1 929 1853 90 GLN CB C 28.9745 . 1 930 1853 90 GLN CG C 33.8935 . 1 931 1853 90 GLN H H 7.98 . 1 932 1853 90 GLN HA H 4.276 . 1 933 1853 90 GLN HB2 H 2.098 . 2 934 1853 90 GLN HB3 H 2.178 . 2 935 1853 90 GLN HE21 H 6.788 . 2 936 1853 90 GLN HE22 H 7.308 . 2 937 1853 90 GLN HG2 H 2.486 . 1 938 1853 90 GLN HG3 H 2.486 . 1 939 1853 90 GLN N N 118.904 . 1 940 1853 90 GLN NE2 N 111.862 . 1 941 1854 91 GLN CA C 56.146 . 1 942 1854 91 GLN CB C 29.6775 . 1 943 1854 91 GLN CG C 34.1275 . 1 944 1854 91 GLN H H 8.051 . 1 945 1854 91 GLN HA H 4.351 . 1 946 1854 91 GLN HB2 H 2.099 . 2 947 1854 91 GLN HB3 H 2.201 . 2 948 1854 91 GLN HE21 H 6.839 . 2 949 1854 91 GLN HE22 H 7.324 . 2 950 1854 91 GLN HG2 H 2.437 . 1 951 1854 91 GLN HG3 H 2.437 . 1 952 1854 91 GLN N N 119.248 . 1 953 1854 91 GLN NE2 N 111.862 . 1 954 1855 92 GLN CA C 56.381 . 1 955 1855 92 GLN CB C 29.4435 . 1 956 1855 92 GLN CG C 33.8935 . 1 957 1855 92 GLN H H 7.865 . 1 958 1855 92 GLN HA H 4.342 . 1 959 1855 92 GLN HB2 H 2.078 . 2 960 1855 92 GLN HB3 H 2.189 . 2 961 1855 92 GLN HE21 H 6.838 . 2 962 1855 92 GLN HE22 H 7.483 . 2 963 1855 92 GLN HG2 H 2.378 . 1 964 1855 92 GLN HG3 H 2.378 . 1 965 1855 92 GLN N N 119.076 . 1 966 1855 92 GLN NE2 N 111.519 . 1 967 2001 93 GLY CA C 45.3715 . 1 968 2001 93 GLY H H 8.164 . 1 969 2001 93 GLY HA2 H 4.028 . 1 970 2001 93 GLY HA3 H 4.028 . 1 971 2001 93 GLY N N 109.286 . 1 972 2002 94 SER H H 8.267 . 1 973 2002 94 SER HB2 H 3.853 . 1 974 2002 94 SER HB3 H 3.853 . 1 975 2002 94 SER N N 115.813 . 1 976 2003 95 GLY CA C 45.3715 . 1 977 2003 95 GLY H H 8.51 . 1 978 2003 95 GLY HA2 H 3.964 . 2 979 2003 95 GLY HA3 H 4.081 . 2 980 2003 95 GLY N N 111.347 . 1 981 2004 96 SER H H 8.211 . 1 982 2004 96 SER HA H 4.451 . 1 983 2004 96 SER N N 115.641 . 1 984 2005 97 GLY CA C 44.1995 . 1 985 2005 97 GLY H H 8.457 . 1 986 2005 97 GLY HA2 H 3.772 . 2 987 2005 97 GLY HA3 H 4.085 . 2 988 2005 97 GLY N N 111.004 . 1 989 2006 98 SER H H 8.126 . 1 990 2006 98 SER HA H 4.464 . 1 991 2006 98 SER HB2 H 3.808 . 1 992 2006 98 SER HB3 H 3.808 . 1 993 2006 98 SER N N 115.641 . 1 994 3002 99 GLU CA C 54.5065 . 1 995 3002 99 GLU CB C 30.8485 . 1 996 3002 99 GLU CG C 36.0015 . 1 997 3002 99 GLU H H 8.262 . 1 998 3002 99 GLU HA H 4.657 . 1 999 3002 99 GLU HB2 H 1.839 . 2 1000 3002 99 GLU HB3 H 2.406 . 2 1001 3002 99 GLU HG2 H 2.336 . 2 1002 3002 99 GLU HG3 H 2.38 . 2 1003 3002 99 GLU N N 123.198 . 1 1004 3003 100 GLU CA C 54.2725 . 1 1005 3003 100 GLU CB C 30.1455 . 1 1006 3003 100 GLU CG C 36.0015 . 1 1007 3003 100 GLU H H 8.315 . 1 1008 3003 100 GLU HA H 4.567 . 1 1009 3003 100 GLU HB2 H 1.899 . 2 1010 3003 100 GLU HB3 H 1.981 . 2 1011 3003 100 GLU HG2 H 2.257 . 1 1012 3003 100 GLU HG3 H 2.257 . 1 1013 3003 100 GLU N N 123.542 . 1 1014 3004 101 PRO CA C 63.642 . 1 1015 3004 101 PRO CB C 32.0195 . 1 1016 3004 101 PRO CD C 50.5245 . 1 1017 3004 101 PRO CG C 27.5695 . 1 1018 3004 101 PRO HA H 4.433 . 1 1019 3004 101 PRO HB2 H 1.952 . 2 1020 3004 101 PRO HB3 H 2.306 . 2 1021 3004 101 PRO HD2 H 3.685 . 2 1022 3004 101 PRO HD3 H 3.858 . 2 1023 3004 101 PRO HG2 H 2.053 . 1 1024 3004 101 PRO HG3 H 2.053 . 1 1025 3005 102 GLN CA C 55.444 . 1 1026 3005 102 GLN CB C 29.9115 . 1 1027 3005 102 GLN CG C 33.6595 . 1 1028 3005 102 GLN H H 8.425 . 1 1029 3005 102 GLN HA H 4.352 . 1 1030 3005 102 GLN HB2 H 1.943 . 2 1031 3005 102 GLN HB3 H 2.103 . 2 1032 3005 102 GLN HE21 H 6.791 . 2 1033 3005 102 GLN HE22 H 7.497 . 2 1034 3005 102 GLN HG2 H 2.358 . 1 1035 3005 102 GLN HG3 H 2.358 . 1 1036 3005 102 GLN N N 120.794 . 1 1037 3005 102 GLN NE2 N 112.721 . 1 1038 3006 103 SER CA C 58.02 . 1 1039 3006 103 SER CB C 64.11 . 1 1040 3006 103 SER H H 8.283 . 1 1041 3006 103 SER HA H 4.37 . 1 1042 3006 103 SER HB2 H 3.804 . 1 1043 3006 103 SER HB3 H 3.804 . 1 1044 3006 103 SER HG H 5.018 . 1 1045 3006 103 SER N N 117.53 . 1 1046 3007 104 ASP CA C 51.9295 . 1 1047 3007 104 ASP CB C 41.8575 . 1 1048 3007 104 ASP H H 8.339 . 1 1049 3007 104 ASP HA H 4.914 . 1 1050 3007 104 ASP HB2 H 2.548 . 2 1051 3007 104 ASP HB3 H 2.804 . 2 1052 3007 104 ASP N N 123.542 . 1 1053 3008 105 PRO CA C 63.876 . 1 1054 3008 105 PRO CB C 32.2535 . 1 1055 3008 105 PRO CD C 50.9925 . 1 1056 3008 105 PRO CG C 27.1005 . 1 1057 3008 105 PRO HA H 4.478 . 1 1058 3008 105 PRO HB2 H 2.016 . 2 1059 3008 105 PRO HB3 H 2.298 . 2 1060 3008 105 PRO HD2 H 3.836 . 2 1061 3008 105 PRO HD3 H 3.882 . 2 1062 3008 105 PRO HG2 H 2.011 . 1 1063 3008 105 PRO HG3 H 2.011 . 1 1064 3009 106 SER CA C 59.191 . 1 1065 3009 106 SER CB C 63.876 . 1 1066 3009 106 SER H H 8.495 . 1 1067 3009 106 SER HA H 4.36 . 1 1068 3009 106 SER HB2 H 3.894 . 1 1069 3009 106 SER HB3 H 3.894 . 1 1070 3009 106 SER N N 115.469 . 1 1071 3010 107 VAL CA C 61.534 . 1 1072 3010 107 VAL CB C 33.1905 . 1 1073 3010 107 VAL CG1 C 20.542 . 2 1074 3010 107 VAL H H 7.568 . 1 1075 3010 107 VAL HA H 4.179 . 1 1076 3010 107 VAL HB H 2.07 . 1 1077 3010 107 VAL HG1 H 0.887 . 2 1078 3010 107 VAL N N 120.622 . 1 1079 3011 108 GLU CA C 54.2725 . 1 1080 3011 108 GLU CB C 29.6775 . 1 1081 3011 108 GLU CG C 35.7675 . 1 1082 3011 108 GLU H H 8.283 . 1 1083 3011 108 GLU HA H 4.468 . 1 1084 3011 108 GLU HB2 H 1.861 . 2 1085 3011 108 GLU HB3 H 1.986 . 2 1086 3011 108 GLU HG2 H 2.252 . 1 1087 3011 108 GLU HG3 H 2.252 . 1 1088 3011 108 GLU N N 126.118 . 1 1089 3012 109 PRO CA C 61.534 . 1 1090 3012 109 PRO CB C 31.3175 . 1 1091 3012 109 PRO CD C 50.5245 . 1 1092 3012 109 PRO CG C 27.5695 . 1 1093 3012 109 PRO HA H 4.67 . 1 1094 3012 109 PRO HB2 H 1.978 . 2 1095 3012 109 PRO HB3 H 2.318 . 2 1096 3012 109 PRO HD2 H 3.629 . 2 1097 3012 109 PRO HD3 H 3.692 . 2 1098 3012 109 PRO HG2 H 2.047 . 1 1099 3012 109 PRO HG3 H 2.047 . 1 1100 3013 110 PRO CA C 63.173 . 1 1101 3013 110 PRO CB C 32.0195 . 1 1102 3013 110 PRO CD C 50.2905 . 1 1103 3013 110 PRO CG C 27.3355 . 1 1104 3013 110 PRO HA H 4.488 . 1 1105 3013 110 PRO HB2 H 1.932 . 2 1106 3013 110 PRO HB3 H 2.249 . 2 1107 3013 110 PRO HD2 H 3.693 . 2 1108 3013 110 PRO HD3 H 3.796 . 2 1109 3013 110 PRO HG2 H 1.982 . 1 1110 3013 110 PRO HG3 H 1.982 . 1 1111 3014 111 LEU CA C 54.7405 . 1 1112 3014 111 LEU CB C 42.0915 . 1 1113 3014 111 LEU CD1 C 23.353 . 2 1114 3014 111 LEU CD2 C 25.2265 . 2 1115 3014 111 LEU CG C 27.5695 . 1 1116 3014 111 LEU HA H 4.627 . 1 1117 3014 111 LEU HB2 H 1.502 . 2 1118 3014 111 LEU HB3 H 1.847 . 2 1119 3014 111 LEU HD1 H 0.911 . 2 1120 3014 111 LEU HD2 H 0.735 . 2 1121 3014 111 LEU HG H 1.556 . 1 1122 3015 112 SER CA C 58.255 . 1 1123 3015 112 SER CB C 63.876 . 1 1124 3015 112 SER H H 8.279 . 1 1125 3015 112 SER HA H 4.48 . 1 1126 3015 112 SER HB2 H 3.863 . 1 1127 3015 112 SER HB3 H 3.863 . 1 1128 3015 112 SER N N 116.671 . 1 1129 3016 113 GLN CA C 56.381 . 1 1130 3016 113 GLN CB C 28.5065 . 1 1131 3016 113 GLN CG C 34.1275 . 1 1132 3016 113 GLN H H 8.431 . 1 1133 3016 113 GLN HA H 4.3 . 1 1134 3016 113 GLN HB2 H 2.176 . 1 1135 3016 113 GLN HB3 H 2.176 . 1 1136 3016 113 GLN HE21 H 6.795 . 2 1137 3016 113 GLN HE22 H 7.38 . 2 1138 3016 113 GLN HG2 H 2.47 . 1 1139 3016 113 GLN HG3 H 2.47 . 1 1140 3016 113 GLN N N 122.683 . 1 1141 3016 113 GLN NE2 N 111.175 . 1 1142 3017 114 GLU CA C 57.786 . 1 1143 3017 114 GLU CB C 29.6895 . 1 1144 3017 114 GLU CG C 36.4705 . 1 1145 3017 114 GLU H H 8.253 . 1 1146 3017 114 GLU HA H 4.031 . 1 1147 3017 114 GLU HB2 H 2.008 . 1 1148 3017 114 GLU HB3 H 2.008 . 1 1149 3017 114 GLU HG2 H 2.203 . 1 1150 3017 114 GLU HG3 H 2.203 . 1 1151 3017 114 GLU N N 120.107 . 1 1152 3018 115 THR CA C 65.984 . 1 1153 3018 115 THR CB C 69.029 . 1 1154 3018 115 THR CG2 C 22.884 . 1 1155 3018 115 THR H H 7.78 . 1 1156 3018 115 THR HA H 4.093 . 1 1157 3018 115 THR HB H 4.368 . 1 1158 3018 115 THR HG2 H 1.354 . 1 1159 3018 115 THR N N 115.641 . 1 1160 3019 116 PHE CA C 58.489 . 1 1161 3019 116 PHE CB C 38.1095 . 1 1162 3019 116 PHE CD1 C 131.805 . 3 1163 3019 116 PHE CE1 C 130.868 . 3 1164 3019 116 PHE CZ C 128.994 . 1 1165 3019 116 PHE H H 8.189 . 1 1166 3019 116 PHE HA H 4.262 . 1 1167 3019 116 PHE HB2 H 3.067 . 1 1168 3019 116 PHE HB3 H 3.067 . 1 1169 3019 116 PHE HD1 H 6.76 . 3 1170 3019 116 PHE HD2 H 6.76 . 3 1171 3019 116 PHE HE1 H 6.951 . 3 1172 3019 116 PHE HE2 H 6.951 . 3 1173 3019 116 PHE HZ H 6.282 . 1 1174 3019 116 PHE N N 120.45 . 1 1175 3020 117 SER CA C 58.489 . 1 1176 3020 117 SER CB C 63.876 . 1 1177 3020 117 SER HA H 4.488 . 1 1178 3020 117 SER HB2 H 3.912 . 1 1179 3020 117 SER HB3 H 3.912 . 1 1180 3021 118 ASP CA C 56.849 . 1 1181 3021 118 ASP CB C 41.1545 . 1 1182 3021 118 ASP HA H 4.431 . 1 1183 3021 118 ASP HB2 H 2.391 . 2 1184 3021 118 ASP HB3 H 2.714 . 2 1185 3022 119 LEU CA C 57.318 . 1 1186 3022 119 LEU CB C 42.0915 . 1 1187 3022 119 LEU CD2 C 25.2265 . 2 1188 3022 119 LEU CG C 27.1005 . 1 1189 3022 119 LEU H H 7.812 . 1 1190 3022 119 LEU HA H 3.951 . 1 1191 3022 119 LEU HB2 H 1.163 . 2 1192 3022 119 LEU HB3 H 1.713 . 2 1193 3022 119 LEU HD2 H 0.931 . 4 1194 3022 119 LEU HG H 1.662 . 1 1195 3022 119 LEU N N 119.763 . 1 1196 3023 120 TRP CA C 59.426 . 1 1197 3023 120 TRP CB C 29.2085 . 1 1198 3023 120 TRP CD1 C 126.418 . 4 1199 3023 120 TRP CE3 C 120.562 . 4 1200 3023 120 TRP CH2 C 124.075 . 1 1201 3023 120 TRP CZ2 C 114.7055 . 4 1202 3023 120 TRP CZ3 C 121.733 . 1 1203 3023 120 TRP H H 7.705 . 1 1204 3023 120 TRP HA H 3.956 . 1 1205 3023 120 TRP HB2 H 2.789 . 1 1206 3023 120 TRP HB3 H 2.789 . 1 1207 3023 120 TRP HD1 H 7.076 . 1 1208 3023 120 TRP HE1 H 10.13 . 4 1209 3023 120 TRP HE3 H 7.24 . 4 1210 3023 120 TRP HH2 H 7.094 . 1 1211 3023 120 TRP HZ2 H 7.404 . 4 1212 3023 120 TRP HZ3 H 7.052 . 4 1213 3023 120 TRP N N 117.015 . 1 1214 3023 120 TRP NE1 N 128.694 . 1 1215 3024 121 LYS CA C 57.786 . 1 1216 3024 121 LYS CB C 32.2575 . 1 1217 3024 121 LYS CD C 29.9115 . 1 1218 3024 121 LYS CE C 43.0285 . 1 1219 3024 121 LYS CG C 24.758 . 1 1220 3024 121 LYS H H 7.536 . 1 1221 3024 121 LYS HA H 4.017 . 1 1222 3024 121 LYS HB2 H 1.804 . 1 1223 3024 121 LYS HB3 H 1.804 . 1 1224 3024 121 LYS HD2 H 1.552 . 1 1225 3024 121 LYS HD3 H 1.552 . 1 1226 3024 121 LYS HE2 H 3.133 . 2 1227 3024 121 LYS HE3 H 3.239 . 2 1228 3024 121 LYS HG2 H 1.283 . 1 1229 3024 121 LYS HG3 H 1.283 . 1 1230 3024 121 LYS N N 120.278 . 1 1231 3025 122 LEU CA C 55.209 . 1 1232 3025 122 LEU CB C 41.8575 . 1 1233 3025 122 LEU CD1 C 22.65 . 2 1234 3025 122 LEU CD2 C 26.6325 . 2 1235 3025 122 LEU CG C 27.5695 . 1 1236 3025 122 LEU H H 7.743 . 1 1237 3025 122 LEU HA H 4.151 . 1 1238 3025 122 LEU HB2 H 1.431 . 2 1239 3025 122 LEU HB3 H 1.939 . 2 1240 3025 122 LEU HD1 H 0.881 . 2 1241 3025 122 LEU HD2 H 0.892 . 2 1242 3025 122 LEU HG H 1.626 . 1 1243 3025 122 LEU N N 118.904 . 1 1244 3026 123 LEU CA C 52.3985 . 1 1245 3026 123 LEU CB C 40.6865 . 1 1246 3026 123 LEU CD1 C 23.353 . 2 1247 3026 123 LEU CD2 C 25.9295 . 2 1248 3026 123 LEU CG C 26.3985 . 1 1249 3026 123 LEU HA H 4.415 . 1 1250 3026 123 LEU HB2 H 1.124 . 2 1251 3026 123 LEU HB3 H 1.212 . 2 1252 3026 123 LEU HD1 H 0.697 . 2 1253 3026 123 LEU HD2 H 0.506 . 2 1254 3026 123 LEU HG H 1.375 . 1 1255 3027 124 PRO CA C 63.408 . 1 1256 3027 124 PRO CB C 31.7855 . 1 1257 3027 124 PRO CD C 50.5245 . 1 1258 3027 124 PRO CG C 27.8035 . 1 1259 3027 124 PRO HA H 4.338 . 1 1260 3027 124 PRO HB2 H 1.916 . 2 1261 3027 124 PRO HB3 H 2.244 . 2 1262 3027 124 PRO HD2 H 3.55 . 2 1263 3027 124 PRO HD3 H 3.769 . 2 1264 3027 124 PRO HG2 H 1.982 . 2 1265 3027 124 PRO HG3 H 2.036 . 2 1266 3028 125 GLU CA C 57.786 . 1 1267 3028 125 GLU CB C 29.6895 . 1 1268 3028 125 GLU CG C 36.9385 . 1 1269 3028 125 GLU H H 8.644 . 1 1270 3028 125 GLU HA H 4.08 . 1 1271 3028 125 GLU HB2 H 1.985 . 1 1272 3028 125 GLU HB3 H 1.985 . 1 1273 3028 125 GLU HG2 H 2.251 . 1 1274 3028 125 GLU HG3 H 2.251 . 1 1275 3028 125 GLU N N 121.137 . 1 1276 3029 126 ASN CA C 53.5695 . 1 1277 3029 126 ASN CB C 38.5785 . 1 1278 3029 126 ASN H H 8.172 . 1 1279 3029 126 ASN HA H 4.615 . 1 1280 3029 126 ASN HB2 H 2.664 . 2 1281 3029 126 ASN HB3 H 2.725 . 2 1282 3029 126 ASN HD21 H 6.826 . 2 1283 3029 126 ASN HD22 H 7.45 . 2 1284 3029 126 ASN N N 117.53 . 1 1285 3029 126 ASN ND2 N 112.206 . 1 1286 3030 127 ASN CA C 53.8035 . 1 1287 3030 127 ASN CB C 39.2815 . 1 1288 3030 127 ASN H H 8.055 . 1 1289 3030 127 ASN HA H 4.714 . 1 1290 3030 127 ASN HB2 H 2.732 . 2 1291 3030 127 ASN HB3 H 2.841 . 2 1292 3030 127 ASN HD21 H 6.826 . 2 1293 3030 127 ASN HD22 H 7.45 . 2 1294 3030 127 ASN N N 118.561 . 1 1295 3030 127 ASN ND2 N 112.206 . 1 1296 3031 128 VAL CA C 62.939 . 1 1297 3031 128 VAL CB C 32.7225 . 1 1298 3031 128 VAL CG1 C 20.542 . 2 1299 3031 128 VAL CG2 C 21.479 . 2 1300 3031 128 VAL H H 7.834 . 1 1301 3031 128 VAL HA H 4.08 . 1 1302 3031 128 VAL HB H 2.162 . 1 1303 3031 128 VAL HG1 H 0.913 . 2 1304 3031 128 VAL HG2 H 0.923 . 2 1305 3031 128 VAL N N 118.561 . 1 1306 3032 129 LEU CA C 54.975 . 1 1307 3032 129 LEU CB C 42.0915 . 1 1308 3032 129 LEU CD1 C 23.353 . 2 1309 3032 129 LEU CD2 C 23.821 . 2 1310 3032 129 LEU CG C 27.1005 . 1 1311 3032 129 LEU H H 8.05 . 1 1312 3032 129 LEU HA H 4.337 . 1 1313 3032 129 LEU HB2 H 1.608 . 2 1314 3032 129 LEU HB3 H 1.696 . 2 1315 3032 129 LEU HD1 H 0.875 . 2 1316 3032 129 LEU HD2 H 0.74 . 2 1317 3032 129 LEU HG H 1.713 . 1 1318 3032 129 LEU N N 122.168 . 1 1319 3033 130 SER CA C 55.912 . 1 1320 3033 130 SER CB C 63.642 . 1 1321 3033 130 SER H H 8.03 . 1 1322 3033 130 SER HA H 4.735 . 1 1323 3033 130 SER HB2 H 3.793 . 2 1324 3033 130 SER HB3 H 3.94 . 2 1325 3033 130 SER N N 118.041 . 1 1326 3034 131 PRO CA C 63.408 . 1 1327 3034 131 PRO CB C 32.0195 . 1 1328 3034 131 PRO CD C 50.7585 . 1 1329 3034 131 PRO CG C 27.3355 . 1 1330 3034 131 PRO HA H 4.488 . 1 1331 3034 131 PRO HB2 H 1.96 . 2 1332 3034 131 PRO HB3 H 2.249 . 2 1333 3034 131 PRO HD2 H 3.749 . 1 1334 3034 131 PRO HD3 H 3.749 . 1 1335 3034 131 PRO HG2 H 1.988 . 1 1336 3034 131 PRO HG3 H 1.988 . 1 1337 3035 132 LEU CA C 53.1005 . 1 1338 3035 132 LEU CB C 42.0915 . 1 1339 3035 132 LEU CD1 C 23.587 . 2 1340 3035 132 LEU CD2 C 25.4615 . 2 1341 3035 132 LEU CG C 27.1005 . 1 1342 3035 132 LEU H H 8.067 . 1 1343 3035 132 LEU HA H 4.615 . 1 1344 3035 132 LEU HB2 H 1.582 . 1 1345 3035 132 LEU HB3 H 1.582 . 1 1346 3035 132 LEU HD1 H 0.913 . 2 1347 3035 132 LEU HD2 H 0.924 . 2 1348 3035 132 LEU HG H 1.661 . 1 1349 3035 132 LEU N N 122.511 . 1 1350 3036 133 PRO CA C 63.642 . 1 1351 3036 133 PRO CB C 32.0195 . 1 1352 3036 133 PRO CD C 50.5245 . 1 1353 3036 133 PRO CG C 27.5695 . 1 1354 3036 133 PRO HA H 4.433 . 1 1355 3036 133 PRO HB2 H 1.968 . 2 1356 3036 133 PRO HB3 H 2.309 . 2 1357 3036 133 PRO HD2 H 3.656 . 2 1358 3036 133 PRO HD3 H 3.854 . 2 1359 3036 133 PRO HG2 H 2.045 . 1 1360 3036 133 PRO HG3 H 2.045 . 1 1361 3037 134 SER CA C 58.957 . 1 1362 3037 134 SER CB C 63.642 . 1 1363 3037 134 SER H H 8.205 . 1 1364 3037 134 SER HA H 4.358 . 1 1365 3037 134 SER HB2 H 3.862 . 2 1366 3037 134 SER HB3 H 3.94 . 2 1367 3037 134 SER N N 114.782 . 1 1368 3038 135 GLN CA C 56.381 . 1 1369 3038 135 GLN CB C 29.2085 . 1 1370 3038 135 GLN CG C 34.1275 . 1 1371 3038 135 GLN H H 8.302 . 1 1372 3038 135 GLN HA H 4.321 . 1 1373 3038 135 GLN HB2 H 2.045 . 2 1374 3038 135 GLN HB3 H 2.154 . 2 1375 3038 135 GLN HE21 H 6.786 . 2 1376 3038 135 GLN HE22 H 7.548 . 2 1377 3038 135 GLN HG2 H 2.38 . 1 1378 3038 135 GLN HG3 H 2.38 . 1 1379 3038 135 GLN N N 121.652 . 1 1380 3038 135 GLN NE2 N 112.55 . 1 1381 3039 136 ALA CA C 53.1005 . 1 1382 3039 136 ALA CB C 19.136 . 1 1383 3039 136 ALA H H 8.099 . 1 1384 3039 136 ALA HA H 4.301 . 1 1385 3039 136 ALA HB H 1.427 . 1 1386 3039 136 ALA N N 123.542 . 1 1387 3040 137 MET CA C 56.146 . 1 1388 3040 137 MET CB C 32.7225 . 1 1389 3040 137 MET CE C 17.263 . 1 1390 3040 137 MET CG C 32.4885 . 1 1391 3040 137 MET H H 8.133 . 1 1392 3040 137 MET HA H 4.409 . 1 1393 3040 137 MET HB2 H 2.073 . 2 1394 3040 137 MET HB3 H 2.118 . 2 1395 3040 137 MET HE H 2.052 . 1 1396 3040 137 MET HG2 H 2.529 . 2 1397 3040 137 MET HG3 H 2.62 . 2 1398 3040 137 MET N N 118.046 . 1 1399 3041 138 ASP CA C 55.444 . 1 1400 3041 138 ASP CB C 41.1545 . 1 1401 3041 138 ASP H H 8.137 . 1 1402 3041 138 ASP HA H 4.538 . 1 1403 3041 138 ASP HB2 H 2.694 . 1 1404 3041 138 ASP HB3 H 2.694 . 1 1405 3041 138 ASP N N 120.45 . 1 1406 3042 139 ASP CA C 55.209 . 1 1407 3042 139 ASP CB C 41.1545 . 1 1408 3042 139 ASP H H 8.153 . 1 1409 3042 139 ASP HA H 4.543 . 1 1410 3042 139 ASP HB2 H 2.696 . 1 1411 3042 139 ASP HB3 H 2.696 . 1 1412 3042 139 ASP N N 119.591 . 1 1413 3043 140 LEU CA C 55.912 . 1 1414 3043 140 LEU CB C 42.5605 . 1 1415 3043 140 LEU CD1 C 24.055 . 2 1416 3043 140 LEU CD2 C 25.2265 . 2 1417 3043 140 LEU CG C 27.3355 . 1 1418 3043 140 LEU H H 7.89 . 1 1419 3043 140 LEU HA H 4.224 . 1 1420 3043 140 LEU HB2 H 1.552 . 2 1421 3043 140 LEU HB3 H 1.661 . 2 1422 3043 140 LEU HD1 H 0.818 . 2 1423 3043 140 LEU HD2 H 0.87 . 2 1424 3043 140 LEU HG H 1.66 . 1 1425 3043 140 LEU N N 120.622 . 1 1426 3044 141 MET CA C 56.146 . 1 1427 3044 141 MET CB C 32.7225 . 1 1428 3044 141 MET CE C 17.263 . 1 1429 3044 141 MET CG C 32.4885 . 1 1430 3044 141 MET H H 8.01 . 1 1431 3044 141 MET HA H 4.407 . 1 1432 3044 141 MET HB2 H 2.072 . 2 1433 3044 141 MET HB3 H 2.117 . 2 1434 3044 141 MET HE H 2.051 . 1 1435 3044 141 MET HG2 H 2.497 . 2 1436 3044 141 MET HG3 H 2.613 . 2 1437 3044 141 MET N N 117.702 . 1 1438 3045 142 LEU CA C 54.5065 . 1 1439 3045 142 LEU CB C 42.7945 . 1 1440 3045 142 LEU CD1 C 23.587 . 2 1441 3045 142 LEU CD2 C 25.4615 . 2 1442 3045 142 LEU CG C 27.1005 . 1 1443 3045 142 LEU H H 8.046 . 1 1444 3045 142 LEU HA H 4.376 . 1 1445 3045 142 LEU HB2 H 1.499 . 2 1446 3045 142 LEU HB3 H 1.609 . 2 1447 3045 142 LEU HD1 H 0.785 . 2 1448 3045 142 LEU HD2 H 0.804 . 2 1449 3045 142 LEU HG H 1.568 . 1 1450 3045 142 LEU N N 122.168 . 1 1451 3046 143 SER CA C 55.912 . 1 1452 3046 143 SER CB C 63.642 . 1 1453 3046 143 SER HA H 4.743 . 1 1454 3046 143 SER HB2 H 3.843 . 1 1455 3046 143 SER HB3 H 3.843 . 1 1456 3047 144 PRO CA C 64.345 . 1 1457 3047 144 PRO CB C 32.0195 . 1 1458 3047 144 PRO CD C 50.7585 . 1 1459 3047 144 PRO CG C 27.3355 . 1 1460 3047 144 PRO HA H 4.373 . 1 1461 3047 144 PRO HB2 H 1.96 . 2 1462 3047 144 PRO HB3 H 2.219 . 2 1463 3047 144 PRO HD2 H 3.749 . 1 1464 3047 144 PRO HD3 H 3.749 . 1 1465 3047 144 PRO HG2 H 1.988 . 1 1466 3047 144 PRO HG3 H 1.988 . 1 1467 3048 145 ASP CA C 55.209 . 1 1468 3048 145 ASP CB C 41.1545 . 1 1469 3048 145 ASP H H 8.035 . 1 1470 3048 145 ASP HA H 4.447 . 1 1471 3048 145 ASP HB2 H 2.5 . 2 1472 3048 145 ASP HB3 H 2.648 . 2 1473 3048 145 ASP N N 118.046 . 1 1474 3049 146 ASP CA C 54.7405 . 1 1475 3049 146 ASP CB C 41.1545 . 1 1476 3049 146 ASP H H 7.917 . 1 1477 3049 146 ASP HA H 4.498 . 1 1478 3049 146 ASP HB2 H 2.659 . 2 1479 3049 146 ASP HB3 H 2.695 . 2 1480 3049 146 ASP N N 119.763 . 1 1481 3050 147 ILE CB C 37.8755 . 1 1482 3050 147 ILE CD1 C 13.749 . 1 1483 3050 147 ILE CG1 C 28.5065 . 1 1484 3050 147 ILE CG2 C 17.965 . 1 1485 3050 147 ILE H H 7.585 . 1 1486 3050 147 ILE HB H 1.542 . 1 1487 3050 147 ILE HD1 H 0.591 . 1 1488 3050 147 ILE HG12 H 0.8 . 9 1489 3050 147 ILE HG13 H 1.06 . 9 1490 3050 147 ILE HG2 H 0.588 . 1 1491 3050 147 ILE N N 121.481 . 1 1492 3051 148 GLU CA C 58.723 . 1 1493 3051 148 GLU CB C 29.4435 . 1 1494 3051 148 GLU CG C 36.7045 . 1 1495 3051 148 GLU H H 8.096 . 1 1496 3051 148 GLU HA H 4.022 . 1 1497 3051 148 GLU HB2 H 1.987 . 2 1498 3051 148 GLU HB3 H 2.046 . 2 1499 3051 148 GLU HG2 H 2.24 . 2 1500 3051 148 GLU HG3 H 2.308 . 2 1501 3051 148 GLU N N 119.591 . 1 1502 3052 149 GLN CA C 56.381 . 1 1503 3052 149 GLN CB C 28.7405 . 1 1504 3052 149 GLN CG C 33.8935 . 1 1505 3052 149 GLN H H 7.711 . 1 1506 3052 149 GLN HA H 4.249 . 1 1507 3052 149 GLN HB2 H 2.016 . 1 1508 3052 149 GLN HB3 H 2.016 . 1 1509 3052 149 GLN HE21 H 6.702 . 2 1510 3052 149 GLN HE22 H 7.45 . 2 1511 3052 149 GLN HG2 H 2.287 . 1 1512 3052 149 GLN HG3 H 2.287 . 1 1513 3052 149 GLN N N 116.328 . 1 1514 3052 149 GLN NE2 N 112.206 . 1 1515 3053 150 TRP CA C 57.786 . 1 1516 3053 150 TRP CB C 29.4435 . 1 1517 3053 150 TRP CD1 C 125.949 . 4 1518 3053 150 TRP CE3 C 121.03 . 4 1519 3053 150 TRP CH2 C 123.841 . 1 1520 3053 150 TRP CZ2 C 114.2375 . 4 1521 3053 150 TRP CZ3 C 121.265 . 4 1522 3053 150 TRP H H 7.793 . 1 1523 3053 150 TRP HA H 4.426 . 1 1524 3053 150 TRP HB2 H 3.045 . 1 1525 3053 150 TRP HB3 H 3.045 . 1 1526 3053 150 TRP HD1 H 6.923 . 1 1527 3053 150 TRP HE1 H 9.865 . 4 1528 3053 150 TRP HE3 H 7.348 . 4 1529 3053 150 TRP HH2 H 7.02 . 1 1530 3053 150 TRP HZ2 H 7.343 . 4 1531 3053 150 TRP HZ3 H 6.998 . 4 1532 3053 150 TRP N N 120.965 . 1 1533 3053 150 TRP NE1 N 128.179 . 1 1534 3054 151 PHE CA C 57.786 . 1 1535 3054 151 PHE CB C 38.1095 . 1 1536 3054 151 PHE CD1 C 132.508 . 3 1537 3054 151 PHE CE1 C 131.102 . 3 1538 3054 151 PHE CZ C 128.76 . 1 1539 3054 151 PHE H H 7.713 . 1 1540 3054 151 PHE HA H 4.523 . 1 1541 3054 151 PHE HB2 H 3.112 . 2 1542 3054 151 PHE HB3 H 3.269 . 2 1543 3054 151 PHE HD1 H 7.292 . 3 1544 3054 151 PHE HD2 H 7.292 . 3 1545 3054 151 PHE HE1 H 7.323 . 3 1546 3054 151 PHE HE2 H 7.323 . 3 1547 3054 151 PHE HZ H 7.125 . 1 1548 3054 151 PHE N N 116.328 . 1 1549 3055 152 THR CA C 62.705 . 1 1550 3055 152 THR CB C 69.966 . 1 1551 3055 152 THR CG2 C 21.713 . 1 1552 3055 152 THR H H 7.752 . 1 1553 3055 152 THR HA H 4.27 . 1 1554 3055 152 THR HB H 4.262 . 1 1555 3055 152 THR HG2 H 1.214 . 1 1556 3055 152 THR N N 112.378 . 1 1557 3056 153 GLU CA C 56.146 . 1 1558 3056 153 GLU CB C 30.3805 . 1 1559 3056 153 GLU CG C 36.4705 . 1 1560 3056 153 GLU H H 8.203 . 1 1561 3056 153 GLU HA H 4.312 . 1 1562 3056 153 GLU HB2 H 1.91 . 2 1563 3056 153 GLU HB3 H 2.043 . 2 1564 3056 153 GLU HG2 H 2.206 . 2 1565 3056 153 GLU HG3 H 2.249 . 2 1566 3056 153 GLU N N 122.511 . 1 1567 3057 154 ASP CA C 52.1635 . 1 1568 3057 154 ASP CB C 41.3895 . 1 1569 3057 154 ASP H H 8.365 . 1 1570 3057 154 ASP HA H 4.804 . 1 1571 3057 154 ASP HB2 H 2.531 . 2 1572 3057 154 ASP HB3 H 2.738 . 2 1573 3057 154 ASP N N 123.198 . 1 1574 3058 155 PRO CA C 63.408 . 1 1575 3058 155 PRO CB C 32.0195 . 1 1576 3058 155 PRO CD C 50.5245 . 1 1577 3058 155 PRO CG C 27.1005 . 1 1578 3058 155 PRO HA H 4.428 . 1 1579 3058 155 PRO HB2 H 1.961 . 2 1580 3058 155 PRO HB3 H 2.138 . 2 1581 3058 155 PRO HD2 H 3.797 . 2 1582 3058 155 PRO HD3 H 3.853 . 2 1583 3058 155 PRO HG2 H 1.901 . 2 1584 3058 155 PRO HG3 H 2.008 . 2 1585 3059 156 GLY CA C 44.4345 . 1 1586 3059 156 GLY H H 8.247 . 1 1587 3059 156 GLY HA2 H 4.057 . 2 1588 3059 156 GLY HA3 H 4.156 . 2 1589 3059 156 GLY N N 108.943 . 1 1590 3060 157 PRO CA C 63.642 . 1 1591 3060 157 PRO CB C 32.4885 . 1 1592 3060 157 PRO CD C 49.8215 . 1 1593 3060 157 PRO CG C 26.8665 . 1 1594 3060 157 PRO HA H 4.503 . 1 1595 3060 157 PRO HB2 H 2.052 . 2 1596 3060 157 PRO HB3 H 2.236 . 2 1597 3060 157 PRO HD2 H 3.606 . 2 1598 3060 157 PRO HD3 H 3.687 . 2 1599 3060 157 PRO HG2 H 2.012 . 1 1600 3060 157 PRO HG3 H 2.012 . 1 1601 3061 158 ASP CA C 56.146 . 1 1602 3061 158 ASP CB C 42.3265 . 1 1603 3061 158 ASP H H 7.901 . 1 1604 3061 158 ASP HA H 4.394 . 1 1605 3061 158 ASP HB2 H 2.587 . 2 1606 3061 158 ASP HB3 H 2.701 . 2 1607 3061 158 ASP N N 125.603 . 1 stop_ save_